Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d33f657c2063266f0c3bc4c43dd597a3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 97.004,
"b": 140.956,
"c": 167.795,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.5020,3.250],
"number_observations_unique": 35898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.400,3.250],
"number_observations": 29933,
"number_observations_unique": 4322,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.390
},
{
"type": "R(meas)",
"value": 1.502
},
{
"type": "R(pim)",
"value": 0.563
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.598
}
]
},
{
"resolution_limits": [48.500,11.260],
"number_observations": 5922,
"number_observations_unique": 953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 47.100
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}